N-ethyl-2-[3-(4-phenylbenzoyl)piperidin-1-yl]acetamide

• ChemBase ID: 371747
• Molecular Formular: C22H26N2O2
• Molecular Mass: 350.45404
• Monoisotopic Mass: 350.19942808
• SMILES: C1(C(=O)c2ccc(cc2)c2ccccc2)CN(CC(=O)NCC)CCC1
• Canonical SMILES: CCNC(=O)CN1CCCC(C1)C(=O)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C22H26N2O2/c1-2-23-21(25)16-24-14-6-9-20(15-24)22(26)19-12-10-18(11-13-19)17-7-4-3-5-8-17/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3,(H,23,25)
• InChIKey: ZLOPANZQBIDUGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-[3-(4-phenylbenzoyl)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-ethyl-2-[3-(4-phenylbenzoyl)piperidin-1-yl]acetamide
• Synonyms: 2-[3-(biphenyl-4-ylcarbonyl)piperidin-1-yl]-N-ethylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.525012
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.747049
• LogD (pH = 7.4): 2.9734771
• Log P: 3.0721767
• Molar Refractivity: 104.7214 cm^3
• Polarizability: 41.796837 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.16
• LOG S: -5.31
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6